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89853-03-2 | [1,2,4]Triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(methylthio)-
CAS No: 89853-03-2 Catalog No: AG003X39 MDL No:
Product Description
Catalog Number:
AG003X39
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(methylthio)-
CAS Number:
89853-03-2
Molecular Formula:
C7H8N4OS
Molecular Weight:
196.2296
IUPAC Name:
5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3H,1-2H3,(H,8,9,10)
InChI Key:
DITIBSDLGMCMTP-UHFFFAOYSA-N
SMILES:
CSc1nn2c(n1)[nH]c(cc2=O)C
EC Number:
255-072-8
UNII:
A5R2YSM6PF
NSC Number:
509227
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.228g/mol
Monoisotopic Mass:
196.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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